N-(3-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine

C18H14ClN5 — CID 70687052

IUPACN-(3-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine
SMILESCn1nc(-c2ccnc(Nc3cccc(Cl)c3)n2)c2ccccc21
InChIInChI=1S/C18H14ClN5/c1-24-16-8-3-2-7-14(16)17(23-24)15-9-10-20-18(22-15)21-13-6-4-5-12(19)11-13/h2-11H,1H3,(H,20,21,22)
InChIKeyZBJAHJXITIJPRG-UHFFFAOYSA-N
MW335.80 g/mol
LogP4.43
Rot. Bonds3

About N-(3-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine

N-(3-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine (PubChem CID 70687052) has the molecular formula C18H14ClN5 and a molecular weight of 335.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine
PubChem CID70687052
Molecular FormulaC18H14ClN5
Molecular Weight335.80 g/mol
Exact Mass335.09
IUPAC NameN-(3-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine
SMILESCn1nc(-c2ccnc(Nc3cccc(Cl)c3)n2)c2ccccc21
InChIInChI=1S/C18H14ClN5/c1-24-16-8-3-2-7-14(16)17(23-24)15-9-10-20-18(22-15)21-13-6-4-5-12(19)11-13/h2-11H,1H3,(H,20,21,22)
InChIKeyZBJAHJXITIJPRG-UHFFFAOYSA-N
XLogP4.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine (CID 70687052) is N-(3-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine is Cn1nc(-c2ccnc(Nc3cccc(Cl)c3)n2)c2ccccc21.
What is the InChIKey of N-(3-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine?
The InChIKey is ZBJAHJXITIJPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5/c1-24-16-8-3-2-7-14(16)17(23-24)15-9-10-20-18(22-15)21-13-6-4-5-12(19)11-13/h2-11H,1H3,(H,20,21,22).
What are the key properties of N-(3-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine?
N-(3-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine has a molecular weight of 335.80 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(1-methylindazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 70687052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).